CAS RN: 124729-57-3
CAS Name: (4R)-4-[(8R,9S,10S,13R,14S,17S)-7-ethyl-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
OPENEYE Name: (4R)-4-[(8R,9S,10S,13R,14S,17S)-7-ethyl-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
IUPAC Name: (4R)-4-[(8R,9S,10S,13R,14S,17S)-7-ethyl-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
SYSTEMATIC NAME: (4R)-4-[(8R,9S,10S,13R,14S,17S)-7-ethyl-10,13-dimethyl-3,7-bis(oxidanyl)-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
MOLECULAR FORMULA: C26H44O4
MOLECULAR WEIGHT: 420.62516
SMILES: CCC1(CC2CC(CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@H]([C@]4(CC3)C)[C@H](C)CCC(=O)O)C)O)O
Structure:
CAS RN: 124681-22-7
CAS Name: 3-hydroxy-N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]dodecanamide
OPENEYE Name: N-[(1R,2R,3S,4R)-1-formyl-2,3,4,5-tetrahydroxy-pentyl]-3-hydroxy-dodecanamide
IUPAC Name: 3-hydroxy-N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]dodecanamide
SYSTEMATIC NAME: 3-oxidanyl-N-[(2R,3R,4S,5R)-3,4,5,6-tetrakis(oxidanyl)-1-oxidanylidene-hexan-2-yl]dodecanamide
MOLECULAR FORMULA: C18H35NO7
MOLECULAR WEIGHT: 377.473
SMILES: CCCCCCCCCC(CC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O)O
Structure:
CAS RN: 124681-17-0
CAS Name: carbonic acid ethyl [1-oxo-1-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]amino]tetradecan-2-yl] ester
OPENEYE Name: ethyl 1-[[(1R,2R,3S,4R)-1-formyl-2,3,4,5-tetrahydroxy-pentyl]carbamoyl]tridecyl carbonate
IUPAC Name: ethyl [1-oxo-1-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]amino]tetradecan-2-yl] carbonate
SYSTEMATIC NAME: ethyl [1-oxidanylidene-1-[[(2R,3R,4S,5R)-3,4,5,6-tetrakis(oxidanyl)-1-oxidanylidene-hexan-2-yl]amino]tetradecan-2-yl] carbonate
MOLECULAR FORMULA: C23H43NO9
MOLECULAR WEIGHT: 477.58882
SMILES: CCCCCCCCCCCCC(C(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O)OC(=O)OCC
Structure:
CAS RN: 124681-15-8
CAS Name: 1-(3-hydroxy-8,8-dimethyl-6,7-dihydro-5H-phenanthren-2-yl)ethanone
OPENEYE Name: 1-(3-hydroxy-8,8-dimethyl-6,7-dihydro-5H-phenanthren-2-yl)ethanone
IUPAC Name: 1-(3-hydroxy-8,8-dimethyl-6,7-dihydro-5H-phenanthren-2-yl)ethanone
SYSTEMATIC NAME: 1-(8,8-dimethyl-3-oxidanyl-6,7-dihydro-5H-phenanthren-2-yl)ethanone
MOLECULAR FORMULA: C18H20O2
MOLECULAR WEIGHT: 268.3502
SMILES: CC(=O)C1=C(C=C2C3=C(C=CC2=C1)C(CCC3)(C)C)O
Structure:
CAS RN: 124679-13-6
CAS Name: 2-oxo-2-(1-pyrenyl)acetonitrile
OPENEYE Name: pyrene-1-carbonyl cyanide
IUPAC Name: pyrene-1-carbonyl cyanide
SYSTEMATIC NAME: 2-oxidanylidene-2-pyren-1-yl-ethanenitrile
MOLECULAR FORMULA: C18H9NO
MOLECULAR WEIGHT: 255.27016
SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(=O)C#N
Structure:
CAS RN: 124673-07-0
CAS Name: N'-(6-butyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)-N,N,N'-trimethylethane-1,2-diamine
OPENEYE Name: N'-(6-butyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)-N,N,N'-trimethyl-ethane-1,2-diamine
IUPAC Name: N'-(6-butyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)-N,N,N'-trimethylethane-1,2-diamine
SYSTEMATIC NAME: N'-(6-butyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)-N,N,N'-trimethyl-ethane-1,2-diamine
MOLECULAR FORMULA: C19H30N2O2
MOLECULAR WEIGHT: 318.4537
SMILES: CCCCC1CC2=CC3=C(C=C2C1N(C)CCN(C)C)OCO3
Structure:
CAS RN: 124668-23-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H18FN3O4
MOLECULAR WEIGHT: 347.340923
SMILES: C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CC(C4)(C)N)F)C(=O)O
Structure:
CAS RN: 124668-12-8
CAS Name: 7-(3-amino-3-methyl-1-azetidinyl)-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid
OPENEYE Name: 7-(3-amino-3-methyl-azetidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid
IUPAC Name: 7-(3-amino-3-methylazetidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 7-(3-azanyl-3-methyl-azetidin-1-yl)-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C17H17F2N3O3
MOLECULAR WEIGHT: 349.331986
SMILES: CC1(CN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F)N
Structure:
CAS RN: 124651-01-0
CAS Name: (8S,9S,13S,14S,17S)-17-[(tert-butylamino)-oxomethyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxylic acid
OPENEYE Name: (8S,9S,13S,14S,17S)-17-(tert-butylcarbamoyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxylic acid
IUPAC Name: (8S,9S,13S,14S,17S)-17-(tert-butylcarbamoyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxylic acid
SYSTEMATIC NAME: (8S,9S,13S,14S,17S)-17-(tert-butylcarbamoyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxylic acid
MOLECULAR FORMULA: C24H33NO3
MOLECULAR WEIGHT: 383.52372
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CCC4=C3C=CC(=C4)C(=O)O
Structure:
CAS RN: 124613-91-8
CAS Name: (2S,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R,6S)-6-[(5-bromo-1H-indol-3-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(5-bromo-1H-indol-3-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(5-bromo-1H-indol-3-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(5-bromanyl-1H-indol-3-yl)oxy]-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C20H26BrNO11
MOLECULAR WEIGHT: 536.32454
SMILES: C1=CC2=C(C=C1Br)C(=CN2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
Structure:
CAS RN: 124602-20-6
CAS Name: 6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxo-2,3,6,7,8,8a-hexahydrothiazolo[3,2-a]pyridine-3-carboxylic acid
OPENEYE Name: 6-(tert-butoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydrothiazolo[3,2-a]pyridine-3-carboxylic acid
IUPAC Name: 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
SYSTEMATIC NAME: 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
MOLECULAR FORMULA: C13H20N2O5S
MOLECULAR WEIGHT: 316.3733
SMILES: CC(C)(C)OC(=O)NC1CCC2N(C1=O)C(CS2)C(=O)O
Structure:
CAS RN: 124598-60-3
CAS Name: 3-(3-iodo-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-1-propanamine
OPENEYE Name: 3-(3-iodo-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-propan-1-amine
IUPAC Name: 3-(3-iodo-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine
SYSTEMATIC NAME: 3-(3-iodanyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-propan-1-amine
MOLECULAR FORMULA: C19H23IN2
MOLECULAR WEIGHT: 406.30379
SMILES: CN(C)CCCN1C2=C(CCC3=CC=CC=C31)C=C(C=C2)I
Structure:
CAS RN: 124596-64-1
CAS Name: (8S,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-methyl-5-methyleneheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-1,3,5,6-tetrol
OPENEYE Name: (8S,9S,10S,13R,14S,17S)-17-[(1R)-1,5-dimethyl-4-methylene-hexyl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-1,3,5,6-tetrol
IUPAC Name: (8S,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-1,3,5,6-tetrol
SYSTEMATIC NAME: (8S,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylidene-heptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-1,3,5,6-tetrol
MOLECULAR FORMULA: C28H48O4
MOLECULAR WEIGHT: 448.67832
SMILES: C[C@H](CCC(=C)C(C)C)[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(C4([C@@]3(C(CC(C4)O)O)C)O)O)C
Structure:
CAS RN: 124580-38-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H23N4O9P
MOLECULAR WEIGHT: 458.359681
SMILES: CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)NCCOP(=O)(O)O
Structure:
CAS RN: 124575-86-6
CAS Name: 1-(2,2-dichlorocyclopropyl)-4-propan-2-yloxybenzene
OPENEYE Name: 1-(2,2-dichlorocyclopropyl)-4-isopropoxy-benzene
IUPAC Name: 1-(2,2-dichlorocyclopropyl)-4-propan-2-yloxybenzene
SYSTEMATIC NAME: 1-[2,2-bis(chloranyl)cyclopropyl]-4-propan-2-yloxy-benzene
MOLECULAR FORMULA: C12H14Cl2O
MOLECULAR WEIGHT: 245.14496
SMILES: CC(C)OC1=CC=C(C=C1)C2CC2(Cl)Cl
Structure:
CAS RN: 124558-37-8
CAS Name: 2-[(1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-3-pyrrolyl)methylidene]indene-1,3-dione
OPENEYE Name: 2-[(1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-pyrrol-3-yl)methylene]indane-1,3-dione
IUPAC Name: 2-[(1-$l^{1}-oxidanyl-2,2,5,5-tetramethylpyrrol-3-yl)methylidene]indene-1,3-dione
SYSTEMATIC NAME: 2-[(1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-pyrrol-3-yl)methylidene]indene-1,3-dione
MOLECULAR FORMULA: C18H18NO3
MOLECULAR WEIGHT: 296.34042
SMILES: CC1(C=C(C(N1[O])(C)C)C=C2C(=O)C3=CC=CC=C3C2=O)C
Structure:
CAS RN: 124555-18-6
CAS Name: (2S,3S,4S,5R)-2-[6-[(2-hydroxycyclopentyl)amino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: (2S,3S,4S,5R)-2-[6-[(2-hydroxycyclopentyl)amino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: (2S,3S,4S,5R)-2-[6-[(2-hydroxycyclopentyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3S,4S,5S)-2-(hydroxymethyl)-5-[6-[(2-oxidanylcyclopentyl)amino]purin-9-yl]oxolane-3,4-diol
MOLECULAR FORMULA: C15H21N5O5
MOLECULAR WEIGHT: 351.35774
SMILES: C1CC(C(C1)O)NC2=NC=NC3=C2N=CN3[C@@H]4[C@H]([C@@H]([C@H](O4)CO)O)O
Structure:
CAS RN: 124536-24-9
CAS Name: methyl(trioctyl)ammonium; (4R)-4-[(3R,5S,7R,10S,12S,13R,17S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
OPENEYE Name: methyl(trioctyl)ammonium; (4R)-4-[(3R,5S,7R,10S,12S,13R,17S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
IUPAC Name: methyl(trioctyl)azanium; (4R)-4-[(3R,5S,7R,10S,12S,13R,17S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
SYSTEMATIC NAME: (4R)-4-[(3R,5S,7R,10S,12S,13R,17S)-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate; methyl(trioctyl)azanium
MOLECULAR FORMULA: C49H93NO5
MOLECULAR WEIGHT: 776.26642
SMILES: CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.C[C@H](CCC(=O)[O-])[C@@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
Structure:
CAS RN: 124529-02-8
CAS Name: (2R)-3-mercapto-2-[(2-methyl-1-oxopropyl)amino]propanoic acid
OPENEYE Name: (2R)-2-(2-methylpropanoylamino)-3-sulfanyl-propanoic acid
IUPAC Name: (2R)-2-(2-methylpropanoylamino)-3-sulfanylpropanoic acid
SYSTEMATIC NAME: (2R)-2-(2-methylpropanoylamino)-3-sulfanyl-propanoic acid
MOLECULAR FORMULA: C7H13NO3S
MOLECULAR WEIGHT: 191.24802
SMILES: CC(C)C(=O)N[C@@H](CS)C(=O)O
Structure:
CAS RN: 97158-32-2
CAS Name: 2-tert-butyl-6-[hydroxy-(1-methyl-5-nitro-2-imidazolyl)methyl]phenol
OPENEYE Name: 2-tert-butyl-6-[hydroxy-(1-methyl-5-nitro-imidazol-2-yl)methyl]phenol
IUPAC Name: 2-tert-butyl-6-[hydroxy-(1-methyl-5-nitroimidazol-2-yl)methyl]phenol
SYSTEMATIC NAME: 2-tert-butyl-6-[(1-methyl-5-nitro-imidazol-2-yl)-oxidanyl-methyl]phenol
MOLECULAR FORMULA: C15H19N3O4
MOLECULAR WEIGHT: 305.32906
SMILES: CC(C)(C)C1=CC=CC(=C1O)C(C2=NC=C(N2C)[N+](=O)[O-])O
Structure:
CAS RN: 149396-88-3
CAS Name: 2-tert-butyl-6-[hydroxy-(1-methyl-5-nitro-2-imidazolyl)methyl]phenol
OPENEYE Name: 2-tert-butyl-6-[hydroxy-(1-methyl-5-nitro-imidazol-2-yl)methyl]phenol
IUPAC Name: 2-tert-butyl-6-[hydroxy-(1-methyl-5-nitroimidazol-2-yl)methyl]phenol
SYSTEMATIC NAME: 2-tert-butyl-6-[(1-methyl-5-nitro-imidazol-2-yl)-oxidanyl-methyl]phenol
MOLECULAR FORMULA: C15H19N3O4
MOLECULAR WEIGHT: 305.32906
SMILES: CC(C)(C)C1=CC=CC(=C1O)C(C2=NC=C(N2C)[N+](=O)[O-])O
Structure:
CAS RN: 124508-99-2
CAS Name: 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinesulfinamide
OPENEYE Name: 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purine-6-sulfinamide
IUPAC Name: 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-sulfinamide
SYSTEMATIC NAME: 2-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purine-6-sulfinamide
MOLECULAR FORMULA: C10H14N6O5S
MOLECULAR WEIGHT: 330.32036
SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(N=C2S(=O)N)N
Structure:
CAS RN: 124505-88-0
CAS Name: (2R)-2-amino-3-[[1-[(2,5-dioxo-1-pyrrolyl)methoxymethyl]-2,5-dioxo-3-pyrrolidinyl]thio]propanoic acid
OPENEYE Name: (2R)-2-amino-3-[1-[(2,5-dioxopyrrol-1-yl)methoxymethyl]-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-propanoic acid
IUPAC Name: (2R)-2-amino-3-[1-[(2,5-dioxopyrrol-1-yl)methoxymethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-3-[1-[[2,5-bis(oxidanylidene)pyrrol-1-yl]methoxymethyl]-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid
MOLECULAR FORMULA: C13H15N3O7S
MOLECULAR WEIGHT: 357.3391
SMILES: C1C(C(=O)N(C1=O)COCN2C(=O)C=CC2=O)SC[C@@H](C(=O)O)N
Structure:
CAS RN: 18312-36-2
CAS Name: 2-(6-methoxy-1-quinolin-1-iumyl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(6-methoxyquinolin-1-ium-1-yl)acetate
IUPAC Name: ethyl 2-(6-methoxyquinolin-1-ium-1-yl)acetate
SYSTEMATIC NAME: ethyl 2-(6-methoxyquinolin-1-ium-1-yl)ethanoate
MOLECULAR FORMULA: C14H16NO3+
MOLECULAR WEIGHT: 246.28174
SMILES: CCOC(=O)C[N+]1=CC=CC2=C1C=CC(=C2)OC
Structure:
CAS RN: 124505-60-8
CAS Name: 2-(6-methoxy-1-quinolin-1-iumyl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(6-methoxyquinolin-1-ium-1-yl)acetate
IUPAC Name: ethyl 2-(6-methoxyquinolin-1-ium-1-yl)acetate
SYSTEMATIC NAME: ethyl 2-(6-methoxyquinolin-1-ium-1-yl)ethanoate
MOLECULAR FORMULA: C14H16NO3+
MOLECULAR WEIGHT: 246.28174
SMILES: CCOC(=O)C[N+]1=CC=CC2=C1C=CC(=C2)OC
Structure:
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